ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate

C14H25NO2 — CID 14846888

IUPACethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCCCC1C=CCCN1C(=O)OCC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-10-13-11-8-9-12-15(13)14(16)17-4-2/h8,11,13H,3-7,9-10,12H2,1-2H3
InChIKeyXDTCFVYJMHLAAY-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.74
Rot. Bonds6

About ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 14846888) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID14846888
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCCCC1C=CCCN1C(=O)OCC
InChIInChI=1S/C14H25NO2/c1-3-5-6-7-10-13-11-8-9-12-15(13)14(16)17-4-2/h8,11,13H,3-7,9-10,12H2,1-2H3
InChIKeyXDTCFVYJMHLAAY-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 556818
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N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
N-Ethoxycarbonyl-7-azabicyclo(2,2,1)hept-2-ene
CID 534131
Ethyl 7-hexyl-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate
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tert-butyl N-[(1S)-cyclohept-2-en-1-yl]-N-methylcarbamate
CID 101487151
tert-butyl (2R)-2-[(E)-prop-1-enyl]piperidine-1-carboxylate
CID 124490920
tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
CID 135043965
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398569
tert-butyl (2S)-2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162399040
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Frequently Asked Questions

What is the IUPAC name of ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 14846888) is ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate is CCCCCCC1C=CCCN1C(=O)OCC.
What is the InChIKey of ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is XDTCFVYJMHLAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-5-6-7-10-13-11-8-9-12-15(13)14(16)17-4-2/h8,11,13H,3-7,9-10,12H2,1-2H3.
What are the key properties of ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate?
ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 14846888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).